BDBM50037344 3-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-ylcarbamoyloxymethyl}-benzoic acid::CHEMBL333835

SMILES: CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2cccc(c2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=BQNOPKVSEDSMKQ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037344   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM50037344 (3-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2cccc(c2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-8-4-3-5-9-18)12-11-20(25(34)37)32-27(40)41-15-17-7-6-10-19(13-17)26(38)39/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair